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13333-91-0 | 9H-Xanthene, 3,6-dimethyl-
CAS No: 13333-91-0 Catalog No: AG0014NV MDL No:
Product Description
Catalog Number:
AG0014NV
Chemical Name:
9H-Xanthene, 3,6-dimethyl-
CAS Number:
13333-91-0
Molecular Formula:
C15H14O
Molecular Weight:
210.2711
IUPAC Name:
3,6-dimethyl-9H-xanthene
InChI:
InChI=1S/C15H14O/c1-10-3-5-12-9-13-6-4-11(2)8-15(13)16-14(12)7-10/h3-8H,9H2,1-2H3
InChI Key:
ZMMDXPSNHBJVFL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)Oc1c(C2)ccc(c1)C
EC Number:
236-384-3
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.276g/mol
Monoisotopic Mass:
210.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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